General Information of the Compound
| Compound ID |
CP0552614
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzyl N-[3-[5-carbamoyl-2-[(2-ethylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N7O5
|
||||||||||||||||||
| Molecular Weight |
519.562
|
||||||||||||||||||
| Canonical SMILES |
CCn1nccc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)OCc1ccccc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N7O5/c1-3-33-20(10-12-29-33)24(35)31-25-30-19-14-18(23(27)34)15-21(37-2)22(19)32(25)13-7-11-28-26(36)38-16-17-8-5-4-6-9-17/h4-6,8-10,12,14-15H,3,7,11,13,16H2,1-2H3,(H2,27,34)(H,28,36)(H,30,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
APVMQSHUJUEZAW-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound